4H-[1]Benzopyrano[4,3-d]thiazol-2-amine supplier

Name
4H-CHROMENO[4,3-D][1,3]THIAZOL-2-AMINE
EINECS
CAS No. 31877-68-6
Density 1.437 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂OS
Boiling Point 449.3 °C at 760 mmHg
Molecular Weight 204.252
Flash Point 225.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4H-[1]Benzopyrano[4,3-d]thiazole,2-amino- (8CI);4H-chromeno[4,3-d][1,3]thiazol-2-amine;4H-Chromeno[4,3-d][1,3]thiazol-2-amine;
PSA 76.38000
LogP 2.86590

4H-[1]Benzopyrano[4,3-d]thiazol-2-amine Specification

The 4H-[1]Benzopyrano[4,3-d]thiazol-2-amine, with the CAS registry number 31877-68-6, has the systematic name and IUPAC name of 4H-chromeno[4,3-d][1,3]thiazol-2-amine. And the molecular formula of the chemical is C₁₀H₈N₂OS.

The characteristics of 4H-[1]Benzopyrano[4,3-d]thiazol-2-amine are as followings: (1)ACD/LogP: 2.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 2.05; (5)ACD/BCF (pH 5.5): 16.22; (6)ACD/BCF (pH 7.4): 21.16; (7)ACD/KOC (pH 5.5): 236.92; (8)ACD/KOC (pH 7.4): 308.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 53.6 Å²; (13)Index of Refraction: 1.719; (14)Molar Refractivity: 56.11 cm³; (15)Molar Volume: 142 cm³; (16)Polarizability: 22.24×10^-24cm³; (17)Surface Tension: 72.4 dyne/cm; (18)Density: 1.437 g/cm³; (19)Flash Point: 225.5 °C; (20)Enthalpy of Vaporization: 70.8 kJ/mol; (21)Boiling Point: 449.3 °C at 760 mmHg; (22)Vapour Pressure: 2.89E-08 mmHg at 25°C.

Uses of 4H-[1]Benzopyrano[4,3-d]thiazol-2-amine: It can react with acetoacetic acid ethyl ester to produce 9-methyl-6H,11H-[1]benzopyrano[4',3':4,5]thiazolo[3,2-a]pyrimidin-11-one. This reaction will need reagent p-toluenesulfonic acid, and the menstruum toluene. The reaction time is 36 hours with heating, and the yield is about 48%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O2c3c(c1nc(sc1C2)N)cccc3
(2)InChI: InChI=1/C10H8N2OS/c11-10-12-9-6-3-1-2-4-7(6)13-5-8(9)14-10/h1-4H,5H2,(H2,11,12)
(3)InChIKey: NVHFPWSBQGIUJA-UHFFFAOYAY

Product Name

4H-CHROMENO[4,3-D][1,3]THIAZOL-2-AMINE

4H-[1]Benzopyrano[4,3-d]thiazol-2-amine Specification

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